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BioLiP

PDB CCD ID: XXM
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O5
InChI: InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
InChIKey: ASNHGEVAWNWCRQ-VAYJURFESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1[C@@]([C@H]([C@H](O1)O)O)(CO)O
ACDLabs 12.01OCC1(C(C(OC1)O)O)O
CACTVS 3.385OC[C]1(O)CO[CH](O)[CH]1O
CACTVS 3.385OC[C@@]1(O)CO[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4C1C(C(C(O1)O)O)(CO)O
Name:3-C-(hydroxylmethyl)-alpha-D-erythrofuranose;
alpha-D-apiose;
3-C-(hydroxylmethyl)-alpha-D-erythrose;
3-C-(hydroxylmethyl)-D-erythrose;
3-C-(hydroxylmethyl)-erythrose;
(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol
ZINC: ZINC000014854290
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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